Molecular Dynamics Simulation for Mechanism Elucidation of Food Processing and Safety: State of the Art
出版年份 2018 全文链接
标题
Molecular Dynamics Simulation for Mechanism Elucidation of Food Processing and Safety: State of the Art
作者
关键词
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出版物
COMPREHENSIVE REVIEWS IN FOOD SCIENCE AND FOOD SAFETY
Volume 18, Issue 1, Pages 243-263
出版商
Wiley
发表日期
2018-11-29
DOI
10.1111/1541-4337.12406
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- (2018) Stephen R. Wassall et al. BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
- Hydration-Dependent Dynamical Modes in Xyloglucan from Molecular Dynamics Simulation of 13C NMR Relaxation Times and Their Distributions
- (2018) Pan Chen et al. BIOMACROMOLECULES
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- (2018) Qiaomei Sun et al. CARBOHYDRATE POLYMERS
- A molecular dynamics simulation study on the conformational stability of amylose-linoleic acid complex in water
- (2018) Lilin Cheng et al. CARBOHYDRATE POLYMERS
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- (2018) Chandrabose Selvaraj et al. FOOD AND CHEMICAL TOXICOLOGY
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- (2018) Sara Verdura et al. FOOD AND CHEMICAL TOXICOLOGY
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- (2018) Laura Escorihuela et al. FOOD AND CHEMICAL TOXICOLOGY
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- (2018) Shangyuan Sang et al. FOOD CHEMISTRY
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- (2018) Nicoleta Stănciuc et al. FOOD CHEMISTRY
- The cryoprotectant effect of xylooligosaccharides on denaturation of peeled shrimp ( Litopenaeus vannamei ) protein during frozen storage
- (2018) Bin Zhang et al. FOOD HYDROCOLLOIDS
- Molecular simulation of the water-triolein-oleic acid mixture: Local structure and thermodynamic properties
- (2018) E. Couallier et al. JOURNAL OF CHEMICAL PHYSICS
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- (2018) Hui Zhang et al. JOURNAL OF MEMBRANE SCIENCE
- Soybean oil-based nanoemulsion systems in absence and presence of curcumin: Molecular dynamics simulation approach
- (2018) Fariba Moghaddasi et al. JOURNAL OF MOLECULAR LIQUIDS
- Crystal structures and molecular dynamics studies of the inclusion compounds of β -citronellol in β -cyclodextrin, heptakis(2,6-di- O -methyl)- β -cyclodextrin and heptakis(2,3,6-tri- O -methyl)- β -cyclodextrin
- (2018) Katerina Fourtaka et al. JOURNAL OF MOLECULAR STRUCTURE
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- (2018) Qianqian Zhao et al. MOLECULAR PHARMACEUTICS
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- (2018) Anna Sofia Tascini et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2018) Hwankyu Lee PLoS One
- Gas-phase complexation of α-/β-cyclodextrin with amino acids studied by ion mobility-mass spectrometry and molecular dynamics simulations
- (2018) Yinjuan Chen et al. TALANTA
- Microbial Starch-Converting Enzymes: Recent Insights and Perspectives
- (2018) Ming Miao et al. COMPREHENSIVE REVIEWS IN FOOD SCIENCE AND FOOD SAFETY
- Cryoprotective roles of trehalose and alginate oligosaccharides during frozen storage of peeled shrimp ( Litopenaeus vannamei )
- (2017) Bin Zhang et al. FOOD CHEMISTRY
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- (2017) Gang Chen et al. Innovative Food Science & Emerging Technologies
- Elucidation of pressure-induced lid movement and catalysis behavior of Rhizopus chinensis lipase
- (2017) Gang Chen et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- Insights into Cryoprotective Roles of Carrageenan Oligosaccharides in Peeled Whiteleg Shrimp (Litopenaeus vannamei) during Frozen Storage
- (2017) Bin Zhang et al. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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- (2017) Wei Ding et al. JOURNAL OF PHYSICAL CHEMISTRY B
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- (2017) Ning Xiang et al. PEPTIDES
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- (2017) Daniela Russo et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
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- (2017) Charles R. Watts et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
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- (2017) Iuliana Aprodu et al. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
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- (2015) Sara Carillo et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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- (2015) Michael T. Lerch et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
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- (2015) Yevgeny Moskovitz et al. Soft Matter
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- (2015) Francis Canon et al. TETRAHEDRON
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- (2014) Dennis C. Koch et al. BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES
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- (2014) Mir A. A. R. Quddus et al. BIOMACROMOLECULES
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- (2014) Samira Gholami et al. BIOPHYSICAL CHEMISTRY
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- (2014) Shulin Zhuang et al. CHEMICAL RESEARCH IN TOXICOLOGY
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- (2014) Nobuhiko Wakai et al. PLoS One
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- (2014) N. V. Nucci et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
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- (2014) Oana Viorela Nistor et al. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
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- (2013) W.F. Drew Bennett et al. CANADIAN JOURNAL OF CHEMISTRY
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- (2013) Stephen R. Euston FOOD HYDROCOLLOIDS
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- (2013) Lili Gai et al. JOURNAL OF CHEMICAL PHYSICS
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- (2013) Andraž Polak et al. JOURNAL OF MEMBRANE BIOLOGY
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- (2013) Fahimeh Mehranfar et al. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY
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- (2013) Paolo Marracino et al. JOURNAL OF PHYSICAL CHEMISTRY B
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- (2013) Jon Kapla et al. JOURNAL OF PHYSICAL CHEMISTRY B
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- (2013) Ming Miao et al. Journal of Functional Foods
- Modeling complex and multi-component food systems in molecular dynamics simulations on the example of chocolate conching
- (2013) Maximilian Greiner et al. Food & Function
- ReaxFF molecular dynamics simulations of non-catalytic pyrolysis of triglyceride at high temperatures
- (2013) Zhiqiang Zhang et al. RSC Advances
- Biomolecular Simulation: A Computational Microscope for Molecular Biology
- (2012) Ron O. Dror et al. Annual Review of Biophysics
- Structure and dynamics of β-lactoglobulin in complex with dodecyl sulfate and laurate: A molecular dynamics study
- (2012) Martiniano Bello et al. BIOPHYSICAL CHEMISTRY
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- (2012) Jin Xu et al. CARBOHYDRATE POLYMERS
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- (2012) Cesar A. López et al. CARBOHYDRATE RESEARCH
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- (2012) Antonio Brasiello et al. FARADAY DISCUSSIONS
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- (2012) S.R. Euston FOOD HYDROCOLLOIDS
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- (2012) Nicoleta Stănciuc et al. Innovative Food Science & Emerging Technologies
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- (2012) Maximilian Greiner et al. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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- (2012) Paula V. Fernández et al. JOURNAL OF BIOLOGICAL CHEMISTRY
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- (2012) Johannes Kirchmair et al. Journal of Chemical Information and Modeling
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- (2012) J.-C. Wang et al. JOURNAL OF FOOD ENGINEERING
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- (2012) Mehdi Sahihi et al. Journal of Macromolecular Science Part B-Physics
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- (2012) Lucie Delemotte et al. JOURNAL OF MEMBRANE BIOLOGY
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- (2012) Mohammad Reza Housaindokht et al. JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC
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- (2012) Olivier Cala et al. LANGMUIR
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- (2012) David L. Cheung LANGMUIR
- Cavities determine the pressure unfolding of proteins
- (2012) J. Roche et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- The initial stage of high-pressure induced β-lactoglobulin aggregation: the long-run simulation
- (2011) Gennadiy Reznikov et al. INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY
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- (2011) Deniz Senyay-Oncel et al. JOURNAL OF BIOSCIENCE AND BIOENGINEERING
- CHARMM Additive All-Atom Force Field for Carbohydrate Derivatives and Its Utility in Polysaccharide and Carbohydrate–Protein Modeling
- (2011) Olgun Guvench et al. Journal of Chemical Theory and Computation
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- (2011) Jasmine Gupta et al. JOURNAL OF PHYSICAL CHEMISTRY B
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- (2011) Silvio D. Rodríguez et al. Journal of Physical Chemistry C
- Structural behavior of Candida antarctica lipase B in water and supercritical carbon dioxide: A molecular dynamic simulation study
- (2011) Mohammad Reza Housaindokht et al. JOURNAL OF SUPERCRITICAL FLUIDS
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- (2011) Patricio A Carvajal-Rondanelli et al. JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
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- (2011) Pekka Mark et al. MOLECULAR SIMULATION
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- (2011) Antonio Brasiello et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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- (2011) B. Lachele Foley et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Protein dynamics and enzyme catalysis: Insights from simulations
- (2010) John D. McGeagh et al. BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS
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- (2010) J. Raúl Grigera et al. BIOPHYSICAL JOURNAL
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- (2010) David A. Pink et al. JOURNAL OF CHEMICAL PHYSICS
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- (2010) Eduardo Walneide C. Almeida et al. JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY
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- (2010) Gintautas Saulis Food Engineering Reviews
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- (2009) Frank A. Momany et al. CARBOHYDRATE POLYMERS
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- (2009) Timothy W. Sirk et al. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
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- (2009) M. Vogel JOURNAL OF PHYSICAL CHEMISTRY B
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- (2008) David R. Nutt et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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- (2008) Job Ubbink et al. Soft Matter
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